Understanding inflections and steps in carbon dioxide adsorption isotherms in metal-organic frameworks

Krista S. Walton; Andrew R. Millward; David Dubbeldam; Houston Frost; John J. Low; Omar M. Yaghi; Randall Q. Snurr

doi:10.1021/ja076595g

Understanding inflections and steps in carbon dioxide adsorption isotherms in metal-organic frameworks

Krista S. Walton, Andrew R. Millward, David Dubbeldam, Houston Frost, John J. Low, Omar M. Yaghi, Randall Q. Snurr

Chemical and Biological Engineering

Research output: Contribution to journal › Article › peer-review

433 Scopus citations

Abstract

Adsorption isotherms for CO₂ in IRMOF-1 exhibit inflections that grow into pronounced steps at lower temperatures. The isotherm shapes can be predicted by molecular simulations using a rigid crystal structure, indicating that changes in the MOF crystal structure are not responsible for the steps in this system.

Original language	English (US)
Pages (from-to)	406-407
Number of pages	2
Journal	Journal of the American Chemical Society
Volume	130
Issue number	2
DOIs	https://doi.org/10.1021/ja076595g
State	Published - Jan 16 2008

ASJC Scopus subject areas

Catalysis
Chemistry(all)
Biochemistry
Colloid and Surface Chemistry

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abstract = "Adsorption isotherms for CO2 in IRMOF-1 exhibit inflections that grow into pronounced steps at lower temperatures. The isotherm shapes can be predicted by molecular simulations using a rigid crystal structure, indicating that changes in the MOF crystal structure are not responsible for the steps in this system.",

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Understanding inflections and steps in carbon dioxide adsorption isotherms in metal-organic frameworks. / Walton, Krista S.; Millward, Andrew R.; Dubbeldam, David; Frost, Houston; Low, John J.; Yaghi, Omar M.; Snurr, Randall Q.

In: Journal of the American Chemical Society, Vol. 130, No. 2, 16.01.2008, p. 406-407.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

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AU - Millward, Andrew R.

AU - Dubbeldam, David

AU - Frost, Houston

AU - Low, John J.

AU - Yaghi, Omar M.

AU - Snurr, Randall Q.

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AB - Adsorption isotherms for CO2 in IRMOF-1 exhibit inflections that grow into pronounced steps at lower temperatures. The isotherm shapes can be predicted by molecular simulations using a rigid crystal structure, indicating that changes in the MOF crystal structure are not responsible for the steps in this system.

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Understanding inflections and steps in carbon dioxide adsorption isotherms in metal-organic frameworks

Abstract

ASJC Scopus subject areas

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